methyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-cyanophenyl)carbonyloxyethanoylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-cyanophenyl)carbonyloxyethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(4-cyanobenzoyl)oxyacetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-2-[[2-[(4-cyanophenyl)-oxomethoxy]-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(4-cyanobenzoyl)oxyacetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-cyanobenzoyl)oxyacetyl]amino]-5-methyl-4-piperonyl-thiophene-3-carboxylic acid methyl ester Formula: C25H20N2O7S MolecularWeight: 492.5005

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)COC(=O)C2=CC=C(C=C2)C#N)C(=O)OC)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)COC(=O)C2=CC=C(C=C2)C#N)C(=O)OC)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H20N2O7S/c1-14-18(9-16-5-8-19-20(10-16)34-13-33-19)22(25(30)31-2)23(35-14)27-21(28)12-32-24(29)17-6-3-15(11-26)4-7-17/h3-8,10H,9,12-13H2,1-2H3,(H,27,28)